4YAR
2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.286, 95.953, 101.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.750 - 1.750 |
R-factor | 0.19774 |
Rwork | 0.196 |
R-free | 0.23789 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g7d |
RMSD bond length | 0.018 |
RMSD bond angle | 1.860 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.750 | 1.756 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 40013 | |
<I/σ(I)> | 21.4 | 4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.1 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 282 | 1 M sodium acetate, 0.1 M HEPES pH 7.5, 0.05 M cadmium sulfate |